BAS 05171161
TL;DR: BAS 05171161 (CAS 457910-56-4) is a chemical compound with molecular formula C18H16FN3O4S and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-(4-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: BAS 05171161, ethyl 3-{[(4-fluorophenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate, ethyl 3-[2-(4-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate, ethyl 3-{[N-(4-fluorophenyl)carbamoyl]methyl}-5-methyl-4-oxo-3-hydrothiopheno[ 2,3-d]pyrimidine-6-carboxylate, Ethyl 3-{[N-(4-fluorophenyl)carbamoyl]methyl}-5-methyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C18H16FN3O4S |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 2.72092 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.08456 |
| Heavy Atoms | 27 |
| Complexity | 1072.6405 |
Chemical Identifiers
| CAS Number | 457910-56-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=C(C=C3)F)C |
Product Overview
BAS 05171161 (CAS 457910-56-4), with molecular formula C18H16FN3O4S and molecular weight 389.08 g/mol. IUPAC: ethyl 3-[2-(4-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 05171161
Property Insights of BAS 05171161
The XLogP value of 2.72092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05171161. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05171161. Following Lipinski's Rule of Five, BAS 05171161 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 05171161?
The CAS number of BAS 05171161 is 457910-56-4.
What is the molecular formula of BAS 05171161?
The molecular formula of BAS 05171161 is C18H16FN3O4S.
What is the molecular weight of BAS 05171161?
The molecular weight of BAS 05171161 is 389.08 g/mol.
Where can I buy BAS 05171161?
You can request a quote for BAS 05171161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05171161?
Yes, KEHONG BIO provides custom synthesis services for BAS 05171161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.